7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 7-(1-adamantyl)-6-(4-hydroxyphenyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone Formula: C25H27N5O3 MolecularWeight: 445.51358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC=C(C=C4)O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C25H27N5O3/c1-27-21-20(22(32)28(2)24(27)33)29-13-19(25-10-14-7-15(11-25)9-16(8-14)12-25)30(23(29)26-21)17-3-5-18(31)6-4-17/h3-6,13-16,31H,7-12H2,1-2H3